(E)-but-2-enedioic acid; 1-pyrrolo[2,3-f]isoquinolin-1-ylpropan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-pyrrolo[2,3-f]isoquinolin-1-ylpropan-2-amine Openeye Name: fumaric acid; 1-pyrrolo[2,3-f]isoquinolin-1-ylpropan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(1-pyrrolo[2,3-f]isoquinolinyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-pyrrolo[2,3-f]isoquinolin-1-ylpropan-2-amine Traditional Name: fumaric acid; (1-methyl-2-pyrrol[2,3-f]isoquinolin-1-yl-ethyl)amine Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC2=C1C3=C(C=C2)C=NC=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C=CC2=C1C3=C(C=C2)C=NC=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H15N3.C4H4O4/c1-10(15)9-17-7-5-11-2-3-12-8-16-6-4-13(12)14(11)17;5-3(6)1-2-4(7)8/h2-8,10H,9,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+